2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol

C12H17ClO3 — CID 116863696

IUPAC2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol
SMILESCOc1cc(C)c(C(O)C(C)Cl)cc1OC
InChIInChI=1S/C12H17ClO3/c1-7-5-10(15-3)11(16-4)6-9(7)12(14)8(2)13/h5-6,8,12,14H,1-4H3
InChIKeyUCQHEDJXFWNOSA-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.67
Rot. Bonds4

About 2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol

2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol (PubChem CID 116863696) has the molecular formula C12H17ClO3 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol
PubChem CID116863696
Molecular FormulaC12H17ClO3
Molecular Weight244.72 g/mol
Exact Mass244.09
IUPAC Name2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol
SMILESCOc1cc(C)c(C(O)C(C)Cl)cc1OC
InChIInChI=1S/C12H17ClO3/c1-7-5-10(15-3)11(16-4)6-9(7)12(14)8(2)13/h5-6,8,12,14H,1-4H3
InChIKeyUCQHEDJXFWNOSA-UHFFFAOYSA-N
XLogP2.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol
CID 116863671
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol
CID 82300217
1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one
CID 116859967
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)propan-2-one
CID 116859802
3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol
CID 116957681
1-(4,5-dimethoxy-2-methylphenyl)pentan-1-ol
CID 61080758
1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol
CID 116863652
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
(5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61080574
3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol
CID 116911728

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol?
The IUPAC name of 2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol (CID 116863696) is 2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol is COc1cc(C)c(C(O)C(C)Cl)cc1OC.
What is the InChIKey of 2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol?
The InChIKey is UCQHEDJXFWNOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO3/c1-7-5-10(15-3)11(16-4)6-9(7)12(14)8(2)13/h5-6,8,12,14H,1-4H3.
What are the key properties of 2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol?
2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol has a molecular weight of 244.72 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 116863696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).